2-[13-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]hexacosan-13-yl]propanedioate

Systemtic Name: 2-[13-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]hexacosan-13-yl]propanedioate Openeye Name: 2-[1-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)methyl]-1-dodecyl-tetradecyl]propanedioate CAS Name: 2-[13-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]hexacosan-13-yl]propanedioate IUPAC Name: 2-[13-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]hexacosan-13-yl]propanedioate Traditional Name: 2-[1-(5-tert-butyl-4-hydroxy-2,3-dimethyl-benzyl)-1-lauryl-tetradecyl]malonate Formula: C42H72O5-2 MolecularWeight: 657.01808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CC1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CC1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C42H74O5/c1-8-10-12-14-16-18-20-22-24-26-28-30-42(37(39(44)45)40(46)47,29-27-25-23-21-19-17-15-13-11-9-2)32-35-31-36(41(5,6)7)38(43)34(4)33(35)3/h31,37,43H,8-30,32H2,1-7H3,(H,44,45)(H,46,47)/p-2